N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-chloro-2-methyl-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetamide

C22H25ClN6O2 — CID 10599262

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-chloro-2-methyl-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(C)c(Cl)nc(NCCc2ccccc2)c1=O
InChIInChI=1S/C22H25ClN6O2/c1-14-17(8-9-18(24)27-14)12-26-19(30)13-29-15(2)20(23)28-21(22(29)31)25-11-10-16-6-4-3-5-7-16/h3-9H,10-13H2,1-2H3,(H2,24,27)(H,25,28)(H,26,30)
InChIKeyBLLNGBVXESSMLJ-UHFFFAOYSA-N
MW440.94 g/mol
LogP2.46
Rot. Bonds8

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-chloro-2-methyl-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-chloro-2-methyl-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetamide (PubChem CID 10599262) has the molecular formula C22H25ClN6O2 and a molecular weight of 440.94 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-chloro-2-methyl-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-chloro-2-methyl-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetamide
PubChem CID10599262
Molecular FormulaC22H25ClN6O2
Molecular Weight440.94 g/mol
Exact Mass440.17
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-chloro-2-methyl-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(C)c(Cl)nc(NCCc2ccccc2)c1=O
InChIInChI=1S/C22H25ClN6O2/c1-14-17(8-9-18(24)27-14)12-26-19(30)13-29-15(2)20(23)28-21(22(29)31)25-11-10-16-6-4-3-5-7-16/h3-9H,10-13H2,1-2H3,(H2,24,27)(H,25,28)(H,26,30)
InChIKeyBLLNGBVXESSMLJ-UHFFFAOYSA-N
XLogP2.46
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-chloro-2-methyl-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-chloro-2-methyl-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetamide (CID 10599262) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-chloro-2-methyl-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-chloro-2-methyl-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-chloro-2-methyl-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetamide is Cc1nc(N)ccc1CNC(=O)Cn1c(C)c(Cl)nc(NCCc2ccccc2)c1=O.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-chloro-2-methyl-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetamide?
The InChIKey is BLLNGBVXESSMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O2/c1-14-17(8-9-18(24)27-14)12-26-19(30)13-29-15(2)20(23)28-21(22(29)31)25-11-10-16-6-4-3-5-7-16/h3-9H,10-13H2,1-2H3,(H2,24,27)(H,25,28)(H,26,30).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-chloro-2-methyl-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-chloro-2-methyl-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetamide has a molecular weight of 440.94 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-chloro-2-methyl-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetamide is sourced from PubChem (CID 10599262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).